Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 6/20 | 0.73 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | RHOC | P08134 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.73 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.71 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.71 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.71 |
| ▸ | PDE6D | O43924 | 4/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14172898 | 0.93 | HMGCR (0.77) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL14528187 | 0.91 | HMGCR (0.75) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL4727724 | 0.91 | HMGCR (0.89) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL1900386 | 0.91 | HMGCR (0.89) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL517400 | 0.91 | HMGCR (0.89) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| Bemfivastatin SCHEMBL18121688 | 0.91 | HMGCR (0.89) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL518254 | 0.90 | HMGCR (0.73) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL13412147 | 0.90 | HMGCR (0.79) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL8931058 | 0.89 | HMGCR (0.86) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 | |
| SCHEMBL12073622 | 0.88 | HMGCR (0.79) | HMGCRSLCO1B1ABCB11HDAC1HDAC2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021010681-A2 | METHOD FOR PREPARING (3R,5R)-7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-((4-HYDROXYMETHYLPHENYLAMINO)CARBONYL)-PYRROLE-1-YL)-3,5-DIHYDROXY HEPTANOIC ACID HEMICALCIUM SALT, AND METHOD FOR PREPARING INTERMEDIATES USED THEREIN | 대원제약주식회사 | 2021-01-21 | — | — | WO | disclosed |